Methyl 2-methylfuran-3-carboxylate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6141-58-8

    Molecular formula
    C7H8O3

    SMILES
    CC1=C(C=CO1)C(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 77.04%
    Sweet 59.21%
    Floral 38.14%
    Caramellic 37.37%
    Herbal 36.37%
    Winey 35.25%
    Burnt 32.6%
    Ethereal 31.46%
    Cherry 31.42%
    Anisic 30.97%

     

    Flavor
    Fruity 73.69%
    Sweet 66.4%
    Tobacco 38.73%
    Caramel 37.81%
    Grape 33.58%
    Herbal 28.29%
    Powdery 27.41%
    Musty 26.79%
    Floral 26.39%
    Berry 26.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    6.04 (neutral)

    Molecular weight
    140.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 69.42 ˚C est.

  • Synonyms

    • Methyl 2-methylfuran-3-carboxylate
    • Methyl 2-methyl-3-furancarboxylate
    • 3-Furancarboxylic acid, 2-methyl-, methyl ester
    • 3-Furoic acid, 2-methyl-, methyl ester
    • EINECS 228-132-6
    • DTXSID40210343
    • RefChem:157362
    • DTXCID40132834
    • 228-132-6
    • UVRRIABXNIGUJZ-UHFFFAOYSA-N
    • 6141-58-8
    • Methyl 2-methyl-3-furoate
    • MFCD00003249
    • 2-Methyl-furan-3-carboxylic acid methyl ester
    • 2-methylfuran-3-carboxylic acid methyl ester
    • SCHEMBL701960
    • Methyl 2-methyl-3-furoate #
    • SCHEMBL2651101
    • SCHEMBL6410207
    • METHYL-2-METHYL-3-FUROATE
    • BB_SC-06791
    • BBL011396
    • SBB040900
    • STL146499
    • AKOS000119414
    • AS-43527
    • FM166781
    • SY101004
    • Methyl 2-methyl-3-furancarboxylate, 99%
    • DB-053874
    • CS-0098016
    • NS00034679
    • ST50214502
    • EN300-18727
    • F235215
    • 6141-58-8

  • Applications

    Methyl 2-methylfuran-3-carboxylate (CAS 6141-58-8) is primarily used as an organic synthesis intermediate, acting as a building block for furan-containing compounds. In industry, it is commonly evaluated as a precursor for fragrance and flavor derivatives, and as a starting material in pharmaceutical and agrochemical syntheses at early stages. It also serves as a building block for furan-based polymers and specialty plastics, and can be employed in coatings and inks as a functionalized intermediate. In R&D, it may be used as a reagent in routes to functionalized heterocycles and other valuable derivatives, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 342.35
    methanol 558.21
    isopropanol 323.59
    water 16.13
    ethyl acetate 343.62
    n-propanol 289.06
    acetone 638.67
    n-butanol 252.77
    acetonitrile 547.07
    DMF 1557.21
    toluene 157.95
    isobutanol 238.61
    1,4-dioxane 803.59
    methyl acetate 433.53
    THF 855.32
    2-butanone 386.92
    n-pentanol 182.57
    sec-butanol 290.91
    n-hexane 27.2
    ethylene glycol 284.17
    NMP 852.85
    cyclohexane 30.05
    DMSO 1203.59
    n-butyl acetate 111.27
    n-octanol 102.81
    chloroform 743.8
    n-propyl acetate 165.87
    acetic acid 362.41
    dichloromethane 793.82
    cyclohexanone 416.23
    propylene glycol 248.86
    isopropyl acetate 197.16
    DMAc 996.16
    2-ethoxyethanol 435.5
    isopentanol 204.42
    n-heptane 15.77
    ethyl formate 281.95
    1,2-dichloroethane 480.9
    n-hexanol 133.86
    2-methoxyethanol 851.53
    isobutyl acetate 111.44
    tetrachloromethane 132.44
    n-pentyl acetate 96.61
    transcutol 365.2
    n-heptanol 81.17
    ethylbenzene 104.89
    MIBK 205.23
    2-propoxyethanol 319.83
    tert-butanol 422.71
    MTBE 295.52
    2-butoxyethanol 165.01
    propionic acid 298.92
    o-xylene 134.22
    formic acid 253.64
    diethyl ether 282.07
    m-xylene 137.19
    p-xylene 147.02
    chlorobenzene 236.26
    dimethyl carbonate 284.19
    n-octane 11.6
    formamide 422.27
    cyclopentanone 635.75
    2-pentanone 326.62
    anisole 282.92
    cyclopentyl methyl ether 355.53
    gamma-butyrolactone 755.87
    1-methoxy-2-propanol 600.04
    pyridine 405.69
    3-pentanone 261.29
    furfural 639.13
    n-dodecane 13.99
    diethylene glycol 387.58
    diisopropyl ether 91.27
    tert-amyl alcohol 337.3
    acetylacetone 461.63
    n-hexadecane 15.88
    acetophenone 229.99
    methyl propionate 384.66
    isopentyl acetate 108.87
    trichloroethylene 866.48
    n-nonanol 90.77
    cyclohexanol 251.15
    benzyl alcohol 220.54
    2-ethylhexanol 82.82
    isooctanol 71.42
    dipropyl ether 91.9
    1,2-dichlorobenzene 224.09
    ethyl lactate 140.83
    propylene carbonate 323.46
    n-methylformamide 706.29
    2-pentanol 187.18
    n-pentane 23.92
    1-propoxy-2-propanol 181.43
    1-methoxy-2-propyl acetate 170.21
    2-(2-methoxypropoxy) propanol 165.18
    mesitylene 95.4
    ε-caprolactone 323.22
    p-cymene 55.68
    epichlorohydrin 793.32
    1,1,1-trichloroethane 487.69
    2-aminoethanol 319.46
    morpholine-4-carbaldehyde 831.58
    sulfolane 922.24
    2,2,4-trimethylpentane 24.79
    2-methyltetrahydrofuran 500.89
    n-hexyl acetate 150.78
    isooctane 18.61
    2-(2-butoxyethoxy)ethanol 194.96
    sec-butyl acetate 120.14
    tert-butyl acetate 231.79
    decalin 30.97
    glycerin 394.62
    diglyme 382.31
    acrylic acid 306.3
    isopropyl myristate 74.01
    n-butyric acid 281.36
    acetyl acetate 218.97
    di(2-ethylhexyl) phthalate 72.29
    ethyl propionate 190.04
    nitromethane 957.16
    1,2-diethoxyethane 136.55
    benzonitrile 243.02
    trioctyl phosphate 59.47
    1-bromopropane 223.96
    gamma-valerolactone 725.51
    n-decanol 71.17
    triethyl phosphate 80.95
    4-methyl-2-pentanol 113.19
    propionitrile 322.22
    vinylene carbonate 320.91
    1,1,2-trichlorotrifluoroethane 577.43
    DMS 169.24
    cumene 77.6
    2-octanol 75.64
    2-hexanone 188.26
    octyl acetate 92.36
    limonene 74.07
    1,2-dimethoxyethane 621.61
    ethyl orthosilicate 75.38
    tributyl phosphate 66.25
    diacetone alcohol 301.52
    N,N-dimethylaniline 204.28
    acrylonitrile 500.13
    aniline 247.19
    1,3-propanediol 418.83
    bromobenzene 237.13
    dibromomethane 454.19
    1,1,2,2-tetrachloroethane 679.45
    2-methyl-cyclohexyl acetate 101.63
    tetrabutyl urea 95.18
    diisobutyl methanol 63.24
    2-phenylethanol 150.88
    styrene 124.04
    dioctyl adipate 98.88
    dimethyl sulfate 513.62
    ethyl butyrate 106.5
    methyl lactate 271.79
    butyl lactate 94.04
    diethyl carbonate 88.66
    propanediol butyl ether 170.44
    triethyl orthoformate 88.04
    p-tert-butyltoluene 59.49
    methyl 4-tert-butylbenzoate 175.87
    morpholine 748.43
    tert-butylamine 235.14
    n-dodecanol 57.46
    dimethoxymethane 724.57
    ethylene carbonate 244.39
    cyrene 239.96
    2-ethoxyethyl acetate 134.81
    2-ethylhexyl acetate 88.11
    1,2,4-trichlorobenzene 274.43
    4-methylpyridine 434.51
    dibutyl ether 88.12
    2,6-dimethyl-4-heptanol 63.24
    DEF 450.55
    dimethyl isosorbide 257.9
    tetrachloroethylene 428.74
    eugenol 182.29
    triacetin 156.04
    span 80 127.5
    1,4-butanediol 199.63
    1,1-dichloroethane 490.27
    2-methyl-1-pentanol 155.17
    methyl formate 586.41
    2-methyl-1-butanol 207.33
    n-decane 19.41
    butyronitrile 279.89
    3,7-dimethyl-1-octanol 93.3
    1-chlorooctane 72.73
    1-chlorotetradecane 37.22
    n-nonane 17.73
    undecane 16.32
    tert-butylcyclohexane 32.87
    cyclooctane 14.17
    cyclopentanol 326.73
    tetrahydropyran 416.69
    tert-amyl methyl ether 223.94
    2,5,8-trioxanonane 272.89
    1-hexene 89.8
    2-isopropoxyethanol 251.72
    2,2,2-trifluoroethanol 221.66
    methyl butyrate 235.02

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction